- InChI
- InChI=1S/C28H41F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-36-21(34)17-16-18-22(35)37-20(2)23-24(29)26(31)28(33)27(32)25(23)30/h20H,3-19H2,1-2H3
- InChI Key
- VWGFZVLGKNEPPB-UHFFFAOYSA-N
- Formula
- C28H41F5O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCCC(=O)O
C(C)c1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 536.61
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 1.2836 | Relay (1.0) Calculated Property | |
| ΔfG° | -1195.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1810.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 77.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.791 | Crippen Calculated Property | |
| McVol | 405.350 | ml/mol | McGowan Calculated Property |
| Pc | 701.72 | kPa | Joback Calculated Property |
| Inp | 3012.00 | NIST | |
| Tboil | 673.40 | K | Relay (1.0) Calculated Property |
| Tc | 845.32 | K | Relay (1.0) Calculated Property |
| Tfus | 331.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.529 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1399.93; 1474.74] | J/mol×K | [1040.11; 1302.14] | 
|
| Cp,gas | 1399.93 | J/mol×K | 1040.11 | Joback Calculated Property |
| Cp,gas | 1418.12 | J/mol×K | 1083.78 | Joback Calculated Property |
| Cp,gas | 1433.94 | J/mol×K | 1127.45 | Joback Calculated Property |
| Cp,gas | 1447.46 | J/mol×K | 1171.12 | Joback Calculated Property |
| Cp,gas | 1458.72 | J/mol×K | 1214.80 | Joback Calculated Property |
| Cp,gas | 1467.79 | J/mol×K | 1258.47 | Joback Calculated Property |
| Cp,gas | 1474.74 | J/mol×K | 1302.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, pentadecyl 1-(pentafluorophenyl)ethyl ester.
Sources
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